5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one

C20H20FN5O — CID 23581629

IUPAC5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(C)c2cc(-c3c(N)n[nH]c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H20FN5O/c1-11(2)26-15-9-6-13(10-16(15)25(3)20(26)27)17-18(23-24-19(17)22)12-4-7-14(21)8-5-12/h4-11H,1-3H3,(H3,22,23,24)
InChIKeySKTTXJCJMZIMEK-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.70
Rot. Bonds3

About 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one

5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one (PubChem CID 23581629) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
PubChem CID23581629
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC Name5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(C)c2cc(-c3c(N)n[nH]c3-c3ccc(F)cc3)ccc21
InChIInChI=1S/C20H20FN5O/c1-11(2)26-15-9-6-13(10-16(15)25(3)20(26)27)17-18(23-24-19(17)22)12-4-7-14(21)8-5-12/h4-11H,1-3H3,(H3,22,23,24)
InChIKeySKTTXJCJMZIMEK-UHFFFAOYSA-N
XLogP3.70
TPSA81.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one (CID 23581629) is 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one is CC(C)n1c(=O)n(C)c2cc(-c3c(N)n[nH]c3-c3ccc(F)cc3)ccc21.
What is the InChIKey of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
The InChIKey is SKTTXJCJMZIMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-11(2)26-15-9-6-13(10-16(15)25(3)20(26)27)17-18(23-24-19(17)22)12-4-7-14(21)8-5-12/h4-11H,1-3H3,(H3,22,23,24).
What are the key properties of 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one has a molecular weight of 365.41 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-5-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 23581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).